AC1L6HN9
diethyl 2-[[4-[(7-amino-5-benzylsulfanylpyrimido[5,4-e][1,2,4]triazin-3-yl)methylamino]benzoyl]amino]pentanedioate
Also Known As: diethyl 2-[[4-[(7-amino-5-benzylsulfanylpyrimido[5,4-e][1,2,4]triazin-3-yl)methylamino]benzoyl]amino]pentanedioate|diethyl n-[4-({[7-amino-5-(benzylsulfanyl)pyrimido[5,4-e][1,2,4]triazin-3-yl]methyl}amino)benzoyl]glutamate
CAS: 5142-14-3
| Molecular Formula | C29H32N8O5S |
|---|---|
| Molecular Weight | 604.2216 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 210.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 16 |
| Exact Mass | 604.2216 |
| Monoisotopic Mass | 604.2216 |
| Heavy Atoms | 43 |
| Complexity | 889.0 |
Chemical Identifiers
| CAS Number | 5142-14-3 |
|---|---|
| SMILES | CCOC(=O)CCC(C(=O)OCC)NC(=O)C1=CC=C(C=C1)NCC2=NC3=C(N=C(N=C3SCC4=CC=CC=C4)N)N=N2 |
| InChIKey | OCVARKXPQXJUBN-UHFFFAOYSA-N |
Product Overview
AC1L6HN9 (CAS 5142-14-3), with molecular formula C29H32N8O5S and molecular weight 604.2216 g/mol. IUPAC: diethyl 2-[[4-[(7-amino-5-benzylsulfanylpyrimido[5,4-e][1,2,4]triazin-3-yl)methylamino]benzoyl]amino]pentanedioate.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
View MSDS →
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